CID 135624094

95335-85-6

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CCOC(=O)C/C(=N/N=C/1\CC(=O)N(C(=O)N1C)C)/C
InChI
InChI=1S/C12H18N4O4/c1-5-20-11(18)6-8(2)13-14-9-7-10(17)16(4)12(19)15(9)3/h5-7H2,1-4H3/b13-8+,14-9+
InChIKey
TWXSKGFSLFGYCI-UQNWOCKMSA-N
Compound name
ethyl (3E)-3-[(E)-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)hydrazinylidene]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1328 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 162.5
[M+Na]+ 305.12202 169.3
[M-H]- 281.12552 166.0
[M+NH4]+ 300.16662 176.8
[M+K]+ 321.09596 168.9
[M+H-H2O]+ 265.13006 154.3
[M+HCOO]- 327.13100 184.0
[M+CH3COO]- 341.14665 210.7
[M+Na-2H]- 303.10747 163.2
[M]+ 282.13225 164.9
[M]- 282.13335 164.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.